SCHEMBL20169355

SCHEMBL20169355

CS(C)(C)CCOCn1cc(CC(F)F)nc1-c1ccc(-c2ccc(O)cc2)nc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 12/20 0.39
KDM1A O60341 1/20 0.32
MTOR P42345 1/20 0.32
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
STAT3 P40763 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15282959 0.87 DGAT1 (0.51) DGAT1NPC1MAPTSTAT3RAB9A
SCHEMBL20169313 0.82 DGAT1 (0.54) DGAT1
SCHEMBL20169341 0.75 DGAT1 (0.55) DGAT1MTOR
SCHEMBL16661047 0.75 DGAT1 (0.54) DGAT1KDM1ANPC1MAPTSTAT3
SCHEMBL20169312 0.74 DGAT1 (0.53) DGAT1
SCHEMBL16660872 0.73 DGAT1 (0.52) DGAT1NPC1MAPTSTAT3RAB9A
SCHEMBL20169384 0.72 DGAT1 (0.49) DGAT1MAPTATM
SCHEMBL16787678 0.70 DGAT1 (0.62) DGAT1NPC1RAB9ASMN1; SMN2
SCHEMBL20169329 0.70 DGAT1 (0.55) DGAT1
SCHEMBL20428497 0.69 DGAT1 (0.60) DGAT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9975871-B2 Continuous arycyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-05-22 US disclosed